March 15, 1989

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

Puntos clave

Los puntos clave no están disponibles para este artículo en este momento.

Resumen

A general form is proposed for an empirical interatomic potential for multicomponent systems. This form interpolates between potentials for the respective elements to treat heteronuclear bonds. The approach is applied to C-Si and Si-Ge systems. In particular, the properties of SiC and its defects are well described.

Preguntar a la IA

Me gusta

Guardar

Cite This Study

J. Tersoff (Wed,) studied this question.

synapsesocial.com/papers/69dd1b7d5f91138675359d6c https://doi.org/https://doi.org/10.1103/physrevb.39.5566

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1Molecular-dynamics computer simulation of amorphous molybdenum-germanium alloys1987 · 17 citations
2Stability of Ordered Bulk and Epitaxial Semiconductor Alloys1986 · 249 citations
3Simple Scheme for Deriving Atomic Force Constants: Application to SiC1982 · 59 citations
4Theory of static structural properties, crystal stability, and phase transformations: Application to Si and Ge1982 · 897 citations
5Empirical interatomic potential for silicon with improved elastic properties1988 · 1,556 citations

Preguntar a la IA

Me gusta

Guardar